Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.3322    0.2066   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0030    0.6930   -0.2816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.0784    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1076   -1.2176    0.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664    0.4117   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4642   -0.3896    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -0.3623    0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    1.1195    0.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -0.3553   -0.9178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657    1.3915   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976   -1.3668    0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736   -0.0525   -0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers